[3-(5-bromanyl-1,3-thiazol-2-yl)-1-but-3-enyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-fluoranylthiophene-2-carboxylate

Systemtic Name: [3-(5-bromanyl-1,3-thiazol-2-yl)-1-but-3-enyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 3-fluoranylthiophene-2-carboxylate Openeye Name: [3-(5-bromothiazol-2-yl)-1-but-3-enyl-3-oxido-imidazolidin-3-ium-4-yl] 3-fluorothiophene-2-carboxylate CAS Name: 3-fluoro-2-thiophenecarboxylic acid [3-(5-bromo-2-thiazolyl)-1-but-3-enyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-bromo-1,3-thiazol-2-yl)-1-but-3-enyl-3-oxidoimidazolidin-3-ium-4-yl] 3-fluorothiophene-2-carboxylate Traditional Name: 3-fluorothiophene-2-carboxylic acid [3-(5-bromothiazol-2-yl)-1-but-3-enyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C15H15BrFN3O3S2 MolecularWeight: 448.330303

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=C(C=CS3)F

Isomeric SMILES

C=CCCN1CC([N+](C1)(C2=NC=C(S2)Br)[O-])OC(=O)C3=C(C=CS3)F

InChI

InChI=1S/C15H15BrFN3O3S2/c1-2-3-5-19-8-12(23-14(21)13-10(17)4-6-24-13)20(22,9-19)15-18-7-11(16)25-15/h2,4,6-7,12H,1,3,5,8-9H2